3-bromo-4-methyl-5-nitro-1H-pyridin-2-one


Chemical Name: 3-bromo-4-methyl-5-nitro-1H-pyridin-2-one
CAS Number: 1049706-72-0
Product Number: AG003J29(AGN-PC-05VCBT)
Synonyms:
MDL No: MFCD12828179
Molecular Formula: C6H5BrN2O3
Molecular Weight: 233.0195

Identification/Properties


Properties
BP:
382.506°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
233.021g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
231.948g/mol
Monoisotopic Mass:
231.948g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
313
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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